Make your own force field with the Orca Compound Module (First steps)

Make your own force field with the Orca Compound Module (First steps)

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Make your own force field with the Orca Compound Module (First steps)
In this video I show how to use Orca compound scripts module to automate the scan of bond distances and angles. This is then used to obtain force constants that can be used in a custom forcefield. The ultimate aim is to make an automated workflow to parameterize molecules to run molecular dynamics calculations.